2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol

C19H32O2 — CID 3430761

IUPAC2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
SMILESCC(C)(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32O2/c1-17(2,3)14-11-13(9-10-19(7,8)21)12-15(16(14)20)18(4,5)6/h11-12,20-21H,9-10H2,1-8H3
InChIKeyXXWSLUNAOXKWMY-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.69
Rot. Bonds3

About 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol

2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol (PubChem CID 3430761) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
PubChem CID3430761
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
SMILESCC(C)(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32O2/c1-17(2,3)14-11-13(9-10-19(7,8)21)12-15(16(14)20)18(4,5)6/h11-12,20-21H,9-10H2,1-8H3
InChIKeyXXWSLUNAOXKWMY-UHFFFAOYSA-N
XLogP4.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
2,6-ditert-butyl-4-pent-4-enylphenol
CID 22463031
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
CID 21395972
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2,6-ditert-butyl-4-(3-ethylsulfanylpropyl)phenol
CID 12006674

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol (CID 3430761) is 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol is CC(C)(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol?
The InChIKey is XXWSLUNAOXKWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-17(2,3)14-11-13(9-10-19(7,8)21)12-15(16(14)20)18(4,5)6/h11-12,20-21H,9-10H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol?
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol has a molecular weight of 292.46 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol is sourced from PubChem (CID 3430761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).